SCHEMBL21692564

SCHEMBL21692564

N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)sc2ccccc23)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 7/20 0.34
CYP3A4 P08684 7/20 0.34
HSD17B10 Q99714 5/20 0.34
CLK4 Q9HAZ1 4/20 0.34
MAPK1 P28482 2/20 0.34
ESR2 Q92731 1/20 0.34
ALOX5 P09917 1/20 0.34
USP2 O75604 3/20 0.33
CYP2C19 P33261 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21692550 1.00 ALDH1A1 (0.35) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21691496 0.96 CYP1A2 (0.36) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL21692470 0.96 ALDH1A1 (0.37) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21692552 0.93 ESR2 (0.38) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21693040 0.92 ESR2 (0.42) ALDH1A1HPGDMAPTCYP1A2CYP3A4
SCHEMBL21691667 0.91 ALDH1A1 (0.35) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21691690 0.91 ALDH1A1 (0.35) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21691694 0.89 ALDH1A1 (0.37) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21692655 0.89 ALDH1A1 (0.37) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL21692249 0.89 ESR2 (0.41) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ALDH1A1 738/4885HPGD 3809/4885MAPT 1412/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ALDH1A1 738/4885HPGD 3809/4885MAPT 1412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.